#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl n LEU 6 N 0.00 -1.11 0.05 -2.67 7.94 -1.26 -4.99 117.00 114.96 2wrl n LEU 6 Ca 0.00 -0.54 -0.03 0.00 -1.11 0.00 0.00 56.01 54.33 2wrl n LEU 6 Cb 0.00 -0.99 -0.01 0.00 0.53 0.00 0.00 43.42 42.95 2wrl n LEU 6 CO 0.00 -3.88 0.14 -0.09 -1.11 0.00 0.00 177.39 172.45 2wrl h ARG 7 N -3.08 -0.17 -2.41 1.96 9.65 -2.12 -3.35 114.38 114.87 2wrl h ARG 7 Ca -0.42 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.38 2wrl h ARG 7 Cb 1.20 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.78 2wrl h ARG 7 CO 0.29 -0.11 0.02 -2.30 2.80 0.00 0.00 179.97 180.66 2wrl n PRO 8 N -3.41 1.01 -0.01 0.20 -0.02 -1.26 -3.70 135.00 127.81 2wrl n PRO 8 Ca -0.02 -0.47 0.02 0.00 -2.02 0.00 0.00 63.50 61.00 2wrl n PRO 8 Cb 0.07 -1.70 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 2wrl n PRO 8 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wrl n ASN 9 N 2.61 3.32 -1.63 2.55 3.02 -1.26 -5.04 115.26 118.83 2wrl n ASN 9 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2wrl n ASN 9 Cb 0.47 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.80 2wrl n ASN 9 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2wrl n PRO 10 N -1.88 1.27 0.00 3.52 -0.04 -1.24 -5.04 135.00 131.58 2wrl n PRO 10 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2wrl n PRO 10 Cb 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 2wrl n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wrl n GLY 11 N 5.00 0.77 2.14 0.55 0.00 -1.26 -5.03 105.19 107.36 2wrl n GLY 11 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2wrl n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrl n ALA 12 N 0.00 -1.00 -1.37 4.61 0.00 -1.26 -4.67 120.51 116.83 2wrl n ALA 12 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2wrl n ALA 12 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 2wrl n ALA 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2wrl n ASN 13 N 2.07 5.15 0.00 0.00 2.04 -1.26 -4.76 115.26 118.51 2wrl n ASN 13 Ca 0.00 -2.66 0.00 0.00 -0.44 0.00 0.00 54.58 51.48 2wrl n ASN 13 Cb 0.00 -1.45 0.00 0.00 -2.53 0.00 0.00 39.78 35.80 2wrl n ASN 13 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2wrl n LYS 14 N 5.29 0.00 -1.99 -3.83 5.02 -1.26 -4.96 118.16 116.42 2wrl n LYS 14 Ca 0.58 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.57 2wrl n LYS 14 Cb 0.31 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.28 2wrl n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wrl s ARG 15 N 0.00 2.49 0.00 1.97 3.00 -1.26 -4.37 118.95 120.77 2wrl s ARG 15 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 55.73 55.87 2wrl s ARG 15 Cb 0.00 -4.80 0.00 0.00 0.00 0.00 0.00 34.95 30.15 2wrl s ARG 15 CO 0.00 -3.24 0.00 2.89 0.00 0.00 0.00 175.30 174.95 2wrl n ARG 16 N 8.97 2.26 -1.39 3.54 -4.01 -1.26 -5.02 116.66 119.75 2wrl n ARG 16 Ca 0.34 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.15 2wrl n ARG 16 Cb 0.49 -0.84 0.00 0.00 -3.04 0.00 0.00 32.46 29.07 2wrl n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 2wrl n LYS 17 N -1.21 -0.74 0.21 2.89 4.81 -1.26 -4.62 118.16 118.23 2wrl n LYS 17 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 2wrl n LYS 17 Cb 0.14 0.00 0.41 0.00 0.02 0.00 0.00 35.03 35.59 2wrl n LYS 17 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2wrl h ARG 18 N 0.28 0.00 -5.96 1.64 1.12 -1.96 -3.41 114.38 106.09 2wrl h ARG 18 Ca 0.00 0.00 -0.60 0.00 -1.11 0.00 0.00 59.98 58.27 2wrl h ARG 18 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 29.96 2wrl h ARG 18 CO 0.00 0.00 1.49 1.33 -3.11 0.00 0.00 179.97 179.68 2wrl n VAL 19 N -2.24 0.29 -2.43 0.20 0.24 -1.26 -4.97 118.33 108.17 2wrl n VAL 19 Ca -0.01 -0.44 -0.23 0.00 -2.04 0.00 0.00 64.34 61.61 2wrl n VAL 19 Cb 0.41 -2.41 0.05 0.00 -1.47 0.00 0.00 33.84 30.43 2wrl n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wrl s GLY 20 N 8.36 1.76 -0.36 7.63 0.00 -1.26 -5.02 107.32 118.43 2wrl s GLY 20 Ca 1.03 -1.15 -0.27 0.00 0.00 0.00 0.00 44.72 44.33 2wrl s GLY 20 CO 0.37 -0.80 0.99 -1.60 0.00 0.00 0.00 173.10 172.06 2wrl s ARG 21 N -5.00 3.89 -0.11 2.90 3.52 -1.26 -5.02 118.95 117.87 2wrl s ARG 21 Ca 0.59 0.71 -0.15 0.00 -0.13 0.00 0.00 55.73 56.75 2wrl s ARG 21 Cb -0.10 -3.79 -0.05 0.00 -1.56 0.00 0.00 34.95 29.44 2wrl s ARG 21 CO 0.41 -0.97 0.37 0.20 -0.81 0.00 0.00 175.30 174.50 2wrl s GLY 22 N 1.87 2.33 -0.24 8.12 0.00 -1.26 -5.02 107.32 113.12 2wrl s GLY 22 Ca 0.41 -0.32 0.12 0.00 0.00 0.00 0.00 44.72 44.93 2wrl s GLY 22 CO 0.19 0.42 1.43 -1.55 0.00 0.00 0.00 173.10 173.59 2wrl n PRO 23 N 3.08 2.15 -3.79 2.90 -0.05 -1.26 -4.50 135.00 133.53 2wrl n PRO 23 Ca -0.11 -3.03 -0.35 0.00 -0.05 0.00 0.00 63.50 59.95 2wrl n PRO 23 Cb 0.52 -1.80 -0.11 0.00 -0.05 0.00 0.00 33.50 32.05 2wrl n PRO 23 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 2wrl s GLY 24 N -2.37 2.24 -0.20 0.55 0.00 -1.24 -4.13 107.32 102.16 2wrl s GLY 24 Ca 0.43 -2.90 -0.33 0.00 0.00 0.00 0.00 44.72 41.92 2wrl s GLY 24 CO 0.03 1.05 1.21 -1.35 0.00 0.00 0.00 173.10 174.04 2wrl s SER 25 N 1.09 -0.15 0.57 1.64 1.04 -1.26 -4.99 113.70 111.64 2wrl s SER 25 Ca 0.13 0.06 0.34 0.00 0.48 0.00 0.00 55.95 56.96 2wrl s SER 25 Cb -0.22 0.14 1.71 0.00 0.10 0.00 0.00 66.02 67.76 2wrl s SER 25 CO -0.04 -0.21 2.14 1.23 0.98 0.00 0.00 173.24 177.35 2wrl h GLY 26 N 2.09 0.00 -6.25 7.32 0.00 -1.96 -3.38 103.07 100.89 2wrl h GLY 26 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.83 2wrl h GLY 26 CO 0.24 0.00 -0.77 -1.58 0.00 0.00 0.00 176.54 174.43 2wrl s HIS 27 N -4.08 0.65 0.00 5.60 5.65 -1.26 -4.91 115.29 116.94 2wrl s HIS 27 Ca -0.03 -0.16 0.00 0.00 0.25 0.00 0.00 55.06 55.12 2wrl s HIS 27 Cb 0.12 -0.61 0.00 0.00 -1.18 0.00 0.00 32.58 30.92 2wrl s HIS 27 CO 0.53 -0.17 0.00 0.41 -0.65 0.00 0.00 174.74 174.85 2wrl n GLY 28 N 4.05 1.12 3.10 1.59 0.00 -1.26 -4.91 105.19 108.87 2wrl n GLY 28 Ca -0.25 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 2wrl n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s LYS 29 N 0.00 1.88 0.52 1.61 3.01 -1.26 -4.94 119.74 120.56 2wrl s LYS 29 Ca 0.00 -1.81 0.03 0.00 -1.01 0.00 0.00 55.97 53.18 2wrl s LYS 29 Cb 0.00 -3.46 0.03 0.00 -1.01 0.00 0.00 37.83 33.39 2wrl s LYS 29 CO 0.00 -1.01 0.26 2.41 0.51 0.00 0.00 175.35 177.51 2wrl n THR 30 N 4.50 0.00 0.00 2.17 -1.04 -1.26 -3.66 114.28 114.99 2wrl n THR 30 Ca -0.01 -2.19 0.00 0.00 -2.04 0.00 0.00 64.05 59.81 2wrl n THR 30 Cb 0.42 0.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 2wrl n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wrl n ALA 31 N -1.73 0.00 0.06 2.41 0.00 -1.26 0.45 120.51 120.43 2wrl n ALA 31 Ca -0.18 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.47 2wrl n ALA 31 Cb 0.61 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.74 2wrl n ALA 31 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2wrl h THR 32 N 0.00 0.25 -1.59 0.00 1.35 -1.94 -3.46 112.91 107.51 2wrl h THR 32 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wrl h THR 32 Cb 0.00 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 2wrl h THR 32 CO 0.00 0.00 -0.37 -1.14 -0.25 0.00 0.00 175.52 173.76 2wrl n ARG 33 N -3.50 -2.01 0.00 4.72 3.00 1.57 -4.59 116.66 115.85 2wrl n ARG 33 Ca 0.10 1.46 0.00 0.00 -0.00 0.00 0.00 57.85 59.40 2wrl n ARG 33 Cb 0.80 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 31.64 2wrl n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wrl n GLY 34 N -0.28 0.00 0.20 5.14 0.00 -1.26 -4.25 105.19 104.74 2wrl n GLY 34 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2wrl n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wrl n HIS 35 N 0.00 -0.50 -4.36 1.61 8.25 -1.26 -5.03 115.22 113.92 2wrl n HIS 35 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 2wrl n HIS 35 Cb 0.00 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 30.65 2wrl n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wrl n LYS 36 N -1.53 0.00 0.00 -0.41 5.02 -1.26 -4.85 118.16 115.13 2wrl n LYS 36 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wrl n LYS 36 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 2wrl n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrl n GLY 37 N 0.00 0.93 0.00 0.72 0.00 -1.26 -5.02 105.19 100.55 2wrl n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrl n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrl n GLN 38 N -1.36 0.00 0.00 1.61 10.64 -1.26 -5.11 117.38 121.90 2wrl n GLN 38 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2wrl n GLN 38 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2wrl n GLN 38 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2wrl n LYS 39 N 0.00 0.00 -2.06 2.61 4.76 -1.26 -4.98 118.16 117.23 2wrl n LYS 39 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2wrl n LYS 39 Cb 0.00 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wrl n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wrl n SER 40 N 0.00 -1.76 -3.35 4.39 2.88 -1.26 -4.95 113.62 109.57 2wrl n SER 40 Ca 0.00 -0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 2wrl n SER 40 Cb 0.00 -1.18 -0.09 0.00 -0.75 0.00 0.00 64.21 62.19 2wrl n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wrl n ARG 41 N -1.31 0.25 0.00 -1.46 5.12 -1.26 -4.61 116.66 113.40 2wrl n ARG 41 Ca -0.04 -3.14 0.00 0.00 -1.93 0.00 0.00 57.85 52.74 2wrl n ARG 41 Cb 0.53 -1.61 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 2wrl n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2wrl n SER 42 N 2.68 0.00 0.00 0.55 3.41 -1.26 -4.94 113.62 114.06 2wrl n SER 42 Ca 0.29 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2wrl n SER 42 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2wrl n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrl n GLY 43 N 0.00 0.00 0.00 5.00 0.00 -1.26 -5.15 105.19 103.78 2wrl n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrl n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrl n GLY 44 N 0.00 4.08 0.00 -0.02 0.00 -1.26 -5.15 105.19 102.84 2wrl n GLY 44 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2wrl n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wrl n LEU 45 N 0.00 0.00 -0.14 0.99 7.94 -1.26 -4.82 117.00 119.72 2wrl n LEU 45 Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 2wrl n LEU 45 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 2wrl n LEU 45 CO 0.00 0.00 -1.39 1.17 -1.11 0.00 0.00 177.39 176.06 2wrl n LYS 46 N 0.00 0.60 0.00 1.96 3.00 -1.26 -5.07 118.16 117.39 2wrl n LYS 46 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 2wrl n LYS 46 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 33.52 2wrl n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2wrl n ASP 47 N -4.15 0.00 0.00 3.14 -0.08 -1.26 -4.99 116.55 109.21 2wrl n ASP 47 Ca -0.53 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.75 2wrl n ASP 47 Cb 0.89 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.35 2wrl n ASP 47 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2wrl n PRO 48 N -0.40 0.00 0.00 -0.67 -0.02 -1.26 -5.04 135.00 127.61 2wrl n PRO 48 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2wrl n PRO 48 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 2wrl n PRO 48 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wrl n ARG 49 N -1.87 0.00 0.08 -0.52 1.74 -1.26 0.16 116.66 114.99 2wrl n ARG 49 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 2wrl n ARG 49 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 2wrl n ARG 49 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2wrl h ARG 50 N 0.00 0.29 0.00 5.56 0.11 -2.00 -3.49 114.38 114.86 2wrl h ARG 50 Ca 0.00 -0.50 -0.18 0.00 0.10 0.00 0.00 59.98 59.41 2wrl h ARG 50 Cb 0.00 0.19 0.08 0.00 1.11 0.00 0.00 29.97 31.35 2wrl h ARG 50 CO 0.00 1.19 0.10 1.19 0.10 0.00 0.00 179.97 182.55 2wrl n PHE 51 N -3.51 -3.63 -0.11 4.08 3.72 0.42 -4.76 117.46 113.67 2wrl n PHE 51 Ca -0.14 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 2wrl n PHE 51 Cb 1.05 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 2wrl n PHE 51 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2wrl n GLU 52 N -2.63 0.00 0.00 -1.08 -0.58 -1.26 -4.93 120.64 110.15 2wrl n GLU 52 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2wrl n GLU 52 Cb 0.25 -0.11 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 2wrl n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wrl n GLY 53 N -0.57 3.85 0.00 0.62 0.00 -1.26 -4.57 105.19 103.26 2wrl n GLY 53 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2wrl n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrl n GLY 54 N 0.00 0.90 1.54 -0.02 0.00 -1.26 -5.07 105.19 101.28 2wrl n GLY 54 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2wrl n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wrl n ARG 55 N -1.96 1.06 -0.90 1.61 0.63 -1.26 -5.00 116.66 110.84 2wrl n ARG 55 Ca 0.00 -1.34 -0.28 0.00 -0.92 0.00 0.00 57.85 55.31 2wrl n ARG 55 Cb 0.00 0.07 -0.02 0.00 0.45 0.00 0.00 32.46 32.96 2wrl n ARG 55 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2wrl n SER 56 N -2.18 5.01 0.00 6.15 7.64 -1.26 -4.88 113.62 124.09 2wrl n SER 56 Ca 0.01 -2.42 0.00 0.00 1.01 0.00 0.00 58.87 57.47 2wrl n SER 56 Cb 0.25 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2wrl n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2wrl n THR 57 N 4.42 0.00 0.00 0.44 -2.24 -1.26 -3.04 114.28 112.60 2wrl n THR 57 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 2wrl n THR 57 Cb 0.19 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 2wrl n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2wrl n THR 58 N 0.00 0.00 0.06 4.28 -1.04 -1.26 -4.97 114.28 111.36 2wrl n THR 58 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 2wrl n THR 58 Cb 0.00 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 68.67 2wrl n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2wrl n LEU 59 N 0.00 3.70 -1.00 -4.42 0.00 -1.17 -3.89 117.00 110.22 2wrl n LEU 59 Ca 0.00 -1.90 0.07 0.00 0.00 0.00 0.00 56.01 54.18 2wrl n LEU 59 Cb 0.00 -0.61 0.22 0.00 0.00 0.00 0.00 43.42 43.03 2wrl n LEU 59 CO 0.00 0.53 0.66 1.15 0.00 0.00 0.00 177.39 179.73 2wrl n MET 60 N 0.12 2.45 -3.30 1.96 0.00 -1.26 -4.83 117.12 112.26 2wrl n MET 60 Ca 0.18 -1.74 -0.41 0.00 0.00 0.00 0.00 57.70 55.73 2wrl n MET 60 Cb 0.81 -1.53 -0.08 0.00 0.00 0.00 0.00 33.22 32.41 2wrl n MET 60 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 2wrl s ARG 61 N -1.58 3.75 0.37 3.17 1.04 -1.25 -5.05 118.95 119.40 2wrl s ARG 61 Ca 0.32 -0.10 -0.28 0.00 -1.04 0.00 0.00 55.73 54.63 2wrl s ARG 61 Cb 0.19 -3.75 -0.11 0.00 -2.04 0.00 0.00 34.95 29.23 2wrl s ARG 61 CO 0.18 -0.50 1.42 1.47 -0.04 0.00 0.00 175.30 177.82 2wrl n LEU 62 N 5.56 4.36 -4.46 -1.89 -0.00 -1.26 -4.95 117.00 114.36 2wrl n LEU 62 Ca -0.06 1.22 -0.43 0.00 -0.00 0.00 0.00 56.01 56.73 2wrl n LEU 62 Cb 0.49 -1.57 -0.03 0.00 -0.00 0.00 0.00 43.42 42.31 2wrl n LEU 62 CO 0.42 -0.07 1.00 -2.16 -0.00 0.00 0.00 177.39 176.58 2wrl s PRO 63 N -2.03 3.54 0.00 1.47 0.04 -1.26 -4.75 135.00 132.00 2wrl s PRO 63 Ca 0.54 -1.58 0.29 0.00 0.04 0.00 0.00 61.00 60.29 2wrl s PRO 63 Cb -0.51 -4.88 1.42 0.00 0.04 0.00 0.00 34.50 30.57 2wrl s PRO 63 CO 0.63 -1.82 2.00 1.17 0.04 0.00 0.00 177.00 179.02 2wrl n LYS 64 N 6.94 0.29 -0.73 4.56 0.00 -1.26 -3.85 118.16 124.11 2wrl n LYS 64 Ca 0.21 0.01 -0.13 0.00 0.00 0.00 0.00 58.31 58.40 2wrl n LYS 64 Cb 0.49 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 33.93 2wrl n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wrl n ARG 65 N -1.35 1.64 -1.64 1.64 0.63 -1.26 -4.85 116.66 111.47 2wrl n ARG 65 Ca 0.12 -0.92 -0.37 0.00 -0.92 0.00 0.00 57.85 55.76 2wrl n ARG 65 Cb 0.27 -2.01 0.06 0.00 0.45 0.00 0.00 32.46 31.23 2wrl n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wrl n GLY 66 N 2.91 -0.13 1.24 5.14 0.00 -1.25 -4.52 105.19 108.59 2wrl n GLY 66 Ca 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2wrl n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wrl n MET 67 N -1.30 0.00 -2.70 1.61 0.00 -1.26 -5.06 117.12 108.41 2wrl n MET 67 Ca 0.15 0.43 -0.06 0.00 -0.00 0.00 0.00 57.70 58.21 2wrl n MET 67 Cb 0.48 -0.81 0.07 0.00 0.00 0.00 0.00 33.22 32.95 2wrl n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2wrl n GLN 68 N 0.17 1.29 -0.08 2.12 6.02 -1.26 -5.12 117.38 120.52 2wrl n GLN 68 Ca 0.00 -2.69 0.00 0.00 -0.01 0.00 0.00 57.00 54.30 2wrl n GLN 68 Cb 0.00 -0.80 0.00 0.00 1.02 0.00 0.00 30.24 30.46 2wrl n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wrl n GLY 69 N -0.47 -3.28 0.00 1.08 0.00 -1.26 -5.06 105.19 96.21 2wrl n GLY 69 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2wrl n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wrl n GLN 70 N -0.64 2.71 -0.08 1.61 -0.06 -1.26 -5.00 117.38 114.67 2wrl n GLN 70 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 2wrl n GLN 70 Cb 0.00 0.00 -0.15 0.00 -4.06 0.00 0.00 30.24 26.03 2wrl n GLN 70 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 2wrl n VAL 71 N 0.00 1.47 0.04 1.69 3.14 -1.26 -4.15 118.33 119.26 2wrl n VAL 71 Ca 0.00 -0.82 0.18 0.00 -2.96 0.00 0.00 64.34 60.74 2wrl n VAL 71 Cb 0.00 -0.71 0.69 0.00 -1.06 0.00 0.00 33.84 32.76 2wrl n VAL 71 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2wrl h PRO 72 N 0.00 0.00 0.00 1.45 0.11 -2.04 -3.47 132.00 128.05 2wrl h PRO 72 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wrl h PRO 72 Cb 2.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.27 2wrl h PRO 72 CO 0.04 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.24 2wrl n GLY 73 N -1.62 0.57 3.78 -0.55 0.00 -1.26 -5.05 105.19 101.05 2wrl n GLY 73 Ca 0.08 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 2wrl n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wrl s GLU 74 N -1.28 4.32 -0.15 1.61 2.12 -1.26 -4.17 118.70 119.89 2wrl s GLU 74 Ca 0.00 0.81 -0.29 0.00 0.36 0.00 0.00 54.97 55.85 2wrl s GLU 74 Cb 0.00 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 2wrl s GLU 74 CO 0.00 0.46 1.18 0.42 -0.54 0.00 0.00 175.26 176.78 2wrl s ILE 75 N -0.55 4.40 0.03 -3.70 1.09 -1.26 -4.98 121.20 116.23 2wrl s ILE 75 Ca 0.32 1.70 -0.30 0.00 -1.10 0.00 0.00 60.65 61.26 2wrl s ILE 75 Cb -0.19 -4.09 -0.05 0.00 -1.06 0.00 0.00 42.46 37.06 2wrl s ILE 75 CO 0.19 -0.11 1.26 -0.75 -0.10 0.00 0.00 174.94 175.43 2wrl s LYS 76 N 3.04 4.37 0.35 2.79 2.47 -1.26 -5.00 119.74 126.49 2wrl s LYS 76 Ca 0.52 1.82 -0.05 0.00 -1.56 0.00 0.00 55.97 56.70 2wrl s LYS 76 Cb -0.21 -3.43 0.01 0.00 -1.46 0.00 0.00 37.83 32.75 2wrl s LYS 76 CO 0.15 -0.38 0.53 -0.98 0.16 0.00 0.00 175.35 174.83 2wrl s ARG 77 N 1.58 1.96 -0.30 4.03 1.70 -1.26 -5.13 118.95 121.53 2wrl s ARG 77 Ca 0.60 -1.68 -0.29 0.00 -0.47 0.00 0.00 55.73 53.88 2wrl s ARG 77 Cb -0.30 0.48 0.01 0.00 -0.57 0.00 0.00 34.95 34.57 2wrl s ARG 77 CO 0.27 -0.83 1.13 -1.25 -1.08 0.00 0.00 175.30 173.54 2wrl s PRO 78 N -2.96 4.06 0.68 3.89 0.04 -1.26 -5.03 135.00 134.42 2wrl s PRO 78 Ca 0.27 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 2wrl s PRO 78 Cb -0.01 -3.76 0.09 0.00 0.04 0.00 0.00 34.50 30.85 2wrl s PRO 78 CO 0.18 -0.91 0.95 -0.98 0.04 0.00 0.00 177.00 176.28 2wrl s ARG 79 N 3.71 2.00 0.00 4.56 1.70 -1.26 -5.03 118.95 124.63 2wrl s ARG 79 Ca 0.48 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 55.00 2wrl s ARG 79 Cb -0.14 -2.30 0.00 0.00 -0.57 0.00 0.00 34.95 31.94 2wrl s ARG 79 CO 0.16 -1.24 0.00 0.66 -1.08 0.00 0.00 175.30 173.81 2wrl n TYR 80 N -2.77 0.00 -3.15 5.89 4.01 -1.26 -3.53 117.16 116.35 2wrl n TYR 80 Ca 0.11 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.91 2wrl n TYR 80 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.63 2wrl n TYR 80 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2wrl s GLN 81 N -0.10 0.10 1.06 -0.72 2.00 -1.25 -4.80 119.66 115.95 2wrl s GLN 81 Ca 0.00 0.10 -0.12 0.00 -2.00 0.00 0.00 55.36 53.34 2wrl s GLN 81 Cb 0.00 0.05 0.23 0.00 0.80 0.00 0.00 33.01 34.08 2wrl s GLN 81 CO 0.00 -0.18 1.07 0.20 -0.50 0.00 0.00 175.29 175.88 2wrl s GLY 82 N 2.97 1.59 -0.30 2.59 0.00 -1.26 -2.70 107.32 110.21 2wrl s GLY 82 Ca 0.28 0.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.89 2wrl s GLY 82 CO -0.22 0.63 0.93 0.54 0.00 0.00 0.00 173.10 174.98 2wrl s VAL 83 N -2.61 -0.54 0.07 1.40 0.11 -1.01 -4.82 120.40 113.01 2wrl s VAL 83 Ca 0.67 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.42 2wrl s VAL 83 Cb -0.23 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.56 2wrl s VAL 83 CO 0.62 0.00 1.14 0.20 -3.33 0.00 0.00 175.10 173.73 2wrl s ASN 84 N 2.75 7.16 0.00 3.54 0.02 -1.19 -1.04 114.94 126.19 2wrl s ASN 84 Ca 0.02 1.97 0.00 0.00 -1.02 0.00 0.00 52.86 53.83 2wrl s ASN 84 Cb -0.10 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.59 2wrl s ASN 84 CO -0.16 -0.39 0.73 0.00 0.02 0.00 0.00 177.10 177.31 2wrl n LEU 85 N 3.61 0.00 0.05 0.60 -0.00 -0.39 -2.15 117.00 118.72 2wrl n LEU 85 Ca 0.07 0.26 -0.02 0.00 -0.00 0.00 0.00 56.01 56.32 2wrl n LEU 85 Cb 0.47 -0.26 -0.01 0.00 -0.00 0.00 0.00 43.42 43.63 2wrl n LEU 85 CO 0.55 -0.26 0.47 0.50 -0.00 0.00 0.00 177.39 178.65 2wrl h LYS 86 N 0.00 -0.12 0.00 1.47 3.64 -1.71 -1.23 116.57 118.63 2wrl h LYS 86 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2wrl h LYS 86 Cb 0.06 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2wrl h LYS 86 CO 0.00 -0.08 0.00 -0.44 -2.27 0.00 0.00 179.45 176.66 2wrl h ASP 87 N -0.13 0.00 0.74 4.20 3.32 -1.76 -2.41 116.42 120.39 2wrl h ASP 87 Ca -0.01 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 2wrl h ASP 87 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2wrl h ASP 87 CO 0.02 0.00 -0.61 0.25 -1.72 0.00 0.00 179.24 177.18 2wrl h LEU 88 N 0.00 0.00 -1.84 1.55 5.85 -1.42 -3.29 115.31 116.15 2wrl h LEU 88 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wrl h LEU 88 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2wrl h LEU 88 CO 0.00 0.61 0.00 0.00 -0.34 0.00 0.00 178.44 178.71 2wrl n ALA 89 N -2.38 1.88 -1.62 1.25 0.00 -0.47 -4.12 120.51 115.05 2wrl n ALA 89 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wrl n ALA 89 Cb 0.64 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2wrl n ALA 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wrl n ARG 90 N 0.71 0.00 -1.63 0.00 0.63 -1.24 -4.98 116.66 110.15 2wrl n ARG 90 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 2wrl n ARG 90 Cb 0.20 -0.01 0.08 0.00 0.45 0.00 0.00 32.46 33.17 2wrl n ARG 90 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2wrl s PHE 91 N 0.00 2.03 0.33 -0.14 -0.71 -1.26 -5.03 117.98 113.19 2wrl s PHE 91 Ca 0.00 1.52 0.07 0.00 -1.04 0.00 0.00 56.93 57.47 2wrl s PHE 91 Cb 0.00 -3.66 -0.06 0.00 -1.21 0.00 0.00 43.02 38.09 2wrl s PHE 91 CO 0.00 -2.92 -0.03 -2.00 -1.34 0.00 0.00 175.22 168.94 2wrl s GLU 92 N -3.52 1.70 0.00 1.99 2.12 -1.26 -4.98 118.70 114.75 2wrl s GLU 92 Ca 0.81 -1.90 0.00 0.00 0.36 0.00 0.00 54.97 54.24 2wrl s GLU 92 Cb -0.36 -1.27 0.00 0.00 0.26 0.00 0.00 34.13 32.76 2wrl s GLU 92 CO 0.42 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 2wrl n GLY 93 N -0.71 1.45 2.71 -1.50 0.00 -1.26 -4.96 105.19 100.92 2wrl n GLY 93 Ca -0.05 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 2wrl n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wrl s GLU 94 N 0.00 -0.04 -0.08 1.61 2.12 -1.26 -3.98 118.70 117.07 2wrl s GLU 94 Ca 0.00 0.31 -0.15 0.00 0.36 0.00 0.00 54.97 55.49 2wrl s GLU 94 Cb 0.00 -0.44 -0.05 0.00 0.26 0.00 0.00 34.13 33.90 2wrl s GLU 94 CO 0.00 -0.28 0.37 0.14 -0.54 0.00 0.00 175.26 174.95 2wrl s VAL 95 N 1.80 5.17 0.03 3.70 -7.23 -1.12 -4.98 120.40 117.78 2wrl s VAL 95 Ca 0.00 0.73 -0.13 0.00 -1.81 0.00 0.00 61.98 60.78 2wrl s VAL 95 Cb -0.12 -3.69 0.02 0.00 0.56 0.00 0.00 36.38 33.15 2wrl s VAL 95 CO -0.03 0.48 0.28 0.42 -0.31 0.00 0.00 175.10 175.94 2wrl s THR 96 N -0.32 0.08 0.62 5.32 -4.23 -1.26 -0.15 115.64 115.71 2wrl s THR 96 Ca 0.21 -0.69 -0.18 0.00 -1.18 0.00 0.00 61.69 59.86 2wrl s THR 96 Cb -0.15 -0.87 -0.05 0.00 1.34 0.00 0.00 72.50 72.77 2wrl s THR 96 CO 0.09 -0.38 0.86 -2.65 -0.54 0.00 0.00 174.62 172.00 2wrl n PRO 97 N 0.72 0.72 0.00 3.99 -0.02 -1.25 -0.53 135.00 138.63 2wrl n PRO 97 Ca -0.19 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2wrl n PRO 97 Cb 0.59 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2wrl n PRO 97 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wrl n GLU 98 N -0.98 0.00 -0.17 -0.52 4.07 -1.26 -4.61 120.64 117.17 2wrl n GLU 98 Ca 0.13 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.16 2wrl n GLU 98 Cb 0.48 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.88 2wrl n GLU 98 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2wrl h LEU 99 N 0.00 0.59 0.02 4.31 5.85 -1.23 -2.42 115.31 122.43 2wrl h LEU 99 Ca 0.00 -0.05 -0.27 0.00 0.84 0.00 0.00 57.88 58.40 2wrl h LEU 99 Cb 0.00 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 40.90 2wrl h LEU 99 CO 0.00 0.47 -1.13 -0.07 -0.34 0.00 0.00 178.44 177.36 2wrl h LEU 100 N 0.66 0.74 -1.05 2.25 -0.00 -1.72 -2.58 115.31 113.61 2wrl h LEU 100 Ca 0.18 -0.66 0.06 0.00 -0.00 0.00 0.00 57.88 57.46 2wrl h LEU 100 Cb -0.02 -0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 40.35 2wrl h LEU 100 CO -0.03 1.47 0.63 -0.37 -0.00 0.00 0.00 178.44 180.14 2wrl h VAL 101 N 0.26 1.09 -0.27 1.22 -1.51 -1.46 0.34 116.25 115.92 2wrl h VAL 101 Ca -0.14 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 2wrl h VAL 101 Cb 1.80 -0.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 2wrl h VAL 101 CO 0.21 0.21 0.00 -1.14 -1.23 0.00 0.00 177.57 175.62 2wrl n ARG 102 N -4.49 1.88 0.00 5.19 0.63 -0.92 -3.93 116.66 115.02 2wrl n ARG 102 Ca 0.15 -1.34 0.00 0.00 -0.92 0.00 0.00 57.85 55.73 2wrl n ARG 102 Cb 0.18 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 31.71 2wrl n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrl n ALA 103 N 0.57 1.15 -1.48 5.13 0.00 0.96 -5.06 120.51 121.79 2wrl n ALA 103 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2wrl n ALA 103 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2wrl n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 104 N 4.29 -0.11 0.00 0.00 0.00 0.19 -5.05 105.19 104.51 2wrl n GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrl n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wrl n LEU 105 N -0.70 0.00 0.00 0.99 4.32 -1.21 -4.85 117.00 115.54 2wrl n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wrl n LEU 105 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2wrl n LEU 105 CO 0.00 0.00 0.00 0.18 -1.22 0.00 0.00 177.39 176.35 2wrl n LEU 106 N 0.00 0.00 -3.04 2.23 4.32 -1.26 -3.08 117.00 116.17 2wrl n LEU 106 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 2wrl n LEU 106 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 2wrl n LEU 106 CO 0.00 0.00 -0.37 2.29 -1.22 0.00 0.00 177.39 178.09 2wrl n LYS 107 N 0.00 -1.95 -0.49 3.23 2.85 -1.25 -1.63 118.16 118.92 2wrl n LYS 107 Ca 0.00 1.76 0.00 0.00 -1.05 0.00 0.00 58.31 59.02 2wrl n LYS 107 Cb 0.00 -3.35 0.00 0.00 -0.65 0.00 0.00 35.03 31.03 2wrl n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wrl n LYS 108 N 0.60 -1.23 0.00 -1.58 4.01 -1.26 -4.65 118.16 114.05 2wrl n LYS 108 Ca 0.00 0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 2wrl n LYS 108 Cb 0.36 -3.68 0.00 0.00 -0.51 0.00 0.00 35.03 31.20 2wrl n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wrl n GLY 109 N 0.05 0.36 7.00 0.72 0.00 -0.64 -4.89 105.19 107.79 2wrl n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wrl n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wrl n TYR 110 N 0.14 0.00 -0.74 1.61 9.36 -1.26 -4.46 117.16 121.81 2wrl n TYR 110 Ca 0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 2wrl n TYR 110 Cb 0.07 0.03 0.03 0.00 -0.63 0.00 0.00 39.34 38.84 2wrl n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wrl n ARG 111 N 14.00 0.00 -3.68 2.98 3.00 -1.23 -4.91 116.66 126.82 2wrl n ARG 111 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.69 2wrl n ARG 111 Cb 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 32.46 31.58 2wrl n ARG 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2wrl s LEU 112 N 5.92 -0.06 -0.16 0.55 1.98 -1.26 -3.89 118.68 121.76 2wrl s LEU 112 Ca 0.29 0.46 0.01 0.00 -2.89 0.00 0.00 54.13 51.99 2wrl s LEU 112 Cb -0.07 0.51 0.02 0.00 0.66 0.00 0.00 46.19 47.31 2wrl s LEU 112 CO 0.58 -0.23 -0.16 -0.75 -1.89 0.00 0.00 176.35 173.90 2wrl s LYS 113 N 2.15 2.52 -0.12 1.98 2.20 -1.10 -1.14 119.74 126.22 2wrl s LYS 113 Ca 0.00 -0.66 -0.12 0.00 -0.36 0.00 0.00 55.97 54.82 2wrl s LYS 113 Cb -0.12 -2.28 -0.05 0.00 -1.51 0.00 0.00 37.83 33.88 2wrl s LYS 113 CO -0.07 -0.24 0.27 -1.50 -0.36 0.00 0.00 175.35 173.45 2wrl s ILE 114 N 1.42 5.30 0.00 5.43 1.10 0.14 -2.39 121.20 132.19 2wrl s ILE 114 Ca 0.05 0.50 0.00 0.00 -0.51 0.00 0.00 60.65 60.69 2wrl s ILE 114 Cb -0.13 -3.58 0.00 0.00 0.15 0.00 0.00 42.46 38.90 2wrl s ILE 114 CO -0.11 0.48 0.00 0.00 -2.11 0.00 0.00 174.94 173.20 2wrl n LEU 115 N 2.89 0.00 0.00 8.50 -0.00 -0.20 -1.97 117.00 126.21 2wrl n LEU 115 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 2wrl n LEU 115 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2wrl n LEU 115 CO 0.37 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.37 2wrl n GLY 116 N 0.00 2.82 3.92 1.47 0.00 -1.26 -1.26 105.19 110.88 2wrl n GLY 116 Ca 0.00 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.75 2wrl n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wrl s GLU 117 N -2.09 2.25 0.00 1.61 2.02 -1.26 -4.45 118.70 116.78 2wrl s GLU 117 Ca 0.00 -2.00 0.00 0.00 0.02 0.00 0.00 54.97 52.99 2wrl s GLU 117 Cb 0.00 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.07 2wrl s GLU 117 CO 0.00 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.01 2wrl n GLY 118 N -1.84 -3.65 3.12 -1.39 0.00 -1.26 -2.97 105.19 97.20 2wrl n GLY 118 Ca 0.00 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 2wrl n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wrl n GLU 119 N -0.02 0.00 -3.96 1.61 -0.58 -1.26 -4.23 120.64 112.19 2wrl n GLU 119 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 2wrl n GLU 119 Cb 0.00 -0.97 -0.05 0.00 -0.57 0.00 0.00 31.44 29.86 2wrl n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrl s ALA 120 N -1.93 3.87 -0.17 0.62 0.00 -1.26 -4.65 121.76 118.25 2wrl s ALA 120 Ca 0.54 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 2wrl s ALA 120 Cb -0.46 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 2wrl s ALA 120 CO 0.65 0.76 0.15 0.15 0.00 0.00 0.00 175.76 177.46 2wrl s LYS 121 N -2.59 3.92 0.20 0.00 1.02 -1.26 -5.03 119.74 115.99 2wrl s LYS 121 Ca 0.33 -0.16 -0.33 0.00 0.02 0.00 0.00 55.97 55.83 2wrl s LYS 121 Cb -0.12 -3.34 -0.13 0.00 -0.52 0.00 0.00 37.83 33.72 2wrl s LYS 121 CO 0.26 0.47 1.56 -2.30 -0.92 0.00 0.00 175.35 174.43 2wrl n PRO 122 N 2.95 2.27 0.00 -1.68 -0.02 -1.25 -4.87 135.00 132.41 2wrl n PRO 122 Ca -0.17 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2wrl n PRO 122 Cb 0.53 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2wrl n PRO 122 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2wrl n LEU 123 N 3.08 0.00 -4.73 2.45 -0.00 -1.24 -4.89 117.00 111.67 2wrl n LEU 123 Ca 0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.75 2wrl n LEU 123 Cb 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.69 2wrl n LEU 123 CO 0.63 0.00 0.64 -0.54 -0.00 0.00 0.00 177.39 178.12 2wrl s LYS 124 N -2.00 4.65 -0.21 1.47 -0.14 -1.26 -2.03 119.74 120.22 2wrl s LYS 124 Ca 0.00 1.39 -0.01 0.00 -1.36 0.00 0.00 55.97 56.00 2wrl s LYS 124 Cb 0.00 -3.39 0.06 0.00 -1.68 0.00 0.00 37.83 32.82 2wrl s LYS 124 CO 0.00 0.18 -0.02 0.54 -0.76 0.00 0.00 175.35 175.29 2wrl s VAL 125 N 0.15 1.12 -0.45 3.17 0.11 -1.26 -2.81 120.40 120.43 2wrl s VAL 125 Ca 0.47 -0.93 -0.25 0.00 -2.93 0.00 0.00 61.98 58.33 2wrl s VAL 125 Cb -0.23 -1.47 0.03 0.00 -1.53 0.00 0.00 36.38 33.18 2wrl s VAL 125 CO 0.29 -0.13 0.92 -0.69 -3.33 0.00 0.00 175.10 172.16 2wrl s VAL 126 N 1.58 4.49 0.24 2.04 1.01 0.79 -3.33 120.40 127.23 2wrl s VAL 126 Ca -0.04 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.74 2wrl s VAL 126 Cb -0.18 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 2wrl s VAL 126 CO -0.07 -0.80 0.17 0.00 0.00 0.00 0.00 175.10 174.41 2wrl s ALA 127 N 3.70 1.42 -0.01 5.51 0.00 -1.26 -3.84 121.76 127.29 2wrl s ALA 127 Ca 0.37 -1.81 0.05 0.00 0.00 0.00 0.00 51.96 50.57 2wrl s ALA 127 Cb -0.10 1.40 -0.24 0.00 0.00 0.00 0.00 23.12 24.17 2wrl s ALA 127 CO 0.25 -0.60 0.80 0.45 0.00 0.00 0.00 175.76 176.66 2wrl h HIS 128 N 2.46 0.17 -1.83 0.00 3.86 -1.42 -3.27 115.15 115.12 2wrl h HIS 128 Ca -0.33 -0.13 0.04 0.00 -1.16 0.00 0.00 60.37 58.79 2wrl h HIS 128 Cb 1.24 -0.01 -0.20 0.00 1.06 0.00 0.00 27.41 29.50 2wrl h HIS 128 CO 0.77 1.19 0.42 0.00 0.86 0.00 0.00 177.93 181.17 2wrl s ALA 129 N -2.62 -1.86 -0.01 2.45 0.00 -1.06 -4.40 121.76 114.25 2wrl s ALA 129 Ca -0.07 1.40 0.04 0.00 0.00 0.00 0.00 51.96 53.33 2wrl s ALA 129 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2wrl s ALA 129 CO 0.83 -0.39 -0.13 -0.06 0.00 0.00 0.00 175.76 176.01 2wrl s PHE 130 N -1.48 1.19 0.99 0.00 0.08 -1.25 0.23 117.98 117.74 2wrl s PHE 130 Ca -0.04 -0.24 -0.12 0.00 0.12 0.00 0.00 56.93 56.66 2wrl s PHE 130 Cb -0.00 -0.78 0.18 0.00 -0.57 0.00 0.00 43.02 41.85 2wrl s PHE 130 CO 0.02 -0.04 1.08 -1.54 -0.10 0.00 0.00 175.22 174.65 2wrl s SER 131 N -0.24 2.53 0.07 1.36 1.04 -0.83 -4.94 113.70 112.70 2wrl s SER 131 Ca 0.04 1.61 -0.37 0.00 0.48 0.00 0.00 55.95 57.71 2wrl s SER 131 Cb -0.06 -2.26 -0.19 0.00 0.10 0.00 0.00 66.02 63.61 2wrl s SER 131 CO -0.00 -3.25 1.56 0.11 0.98 0.00 0.00 173.24 172.64 2wrl h LYS 132 N -1.97 -1.12 -0.02 4.02 1.57 -2.01 -3.25 116.57 113.79 2wrl h LYS 132 Ca -0.52 0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2wrl h LYS 132 Cb 1.30 0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.84 2wrl h LYS 132 CO 0.51 -0.75 -0.23 1.03 -0.57 0.00 0.00 179.45 179.44 2wrl h SER 133 N -1.17 -0.73 -0.77 0.86 0.87 -1.96 -3.26 113.55 107.39 2wrl h SER 133 Ca -0.10 0.08 -0.53 0.00 -1.23 0.00 0.00 61.79 60.01 2wrl h SER 133 Cb 0.95 0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 63.12 2wrl h SER 133 CO 0.07 -0.22 1.64 0.00 -0.53 0.00 0.00 176.83 177.79 2wrl s ALA 134 N -4.47 2.65 0.00 6.23 0.00 -1.23 -0.67 121.76 124.27 2wrl s ALA 134 Ca -0.07 -2.48 0.00 0.00 0.00 0.00 0.00 51.96 49.42 2wrl s ALA 134 Cb 0.03 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.52 2wrl s ALA 134 CO 0.26 -4.03 0.00 -0.11 0.00 0.00 0.00 175.76 171.88 2wrl n LEU 135 N 10.67 0.00 0.08 0.00 -0.00 -1.24 -3.63 117.00 122.88 2wrl n LEU 135 Ca 0.45 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 56.26 2wrl n LEU 135 Cb 0.47 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.74 2wrl n LEU 135 CO 0.71 0.00 -0.36 -0.33 -0.00 0.00 0.00 177.39 177.41 2wrl h GLU 136 N 0.00 0.33 0.00 1.96 4.39 -0.93 -2.60 114.58 117.72 2wrl h GLU 136 Ca 0.00 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.14 2wrl h GLU 136 Cb 0.00 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2wrl h GLU 136 CO 0.00 1.22 0.00 1.63 -1.16 0.00 0.00 179.01 180.70 2wrl n LYS 137 N -3.53 0.72 0.00 2.33 5.02 -1.03 -1.02 118.16 120.64 2wrl n LYS 137 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2wrl n LYS 137 Cb 1.06 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 2wrl n LYS 137 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2wrl n LEU 138 N -0.84 1.04 -0.28 -0.35 7.94 -1.14 -4.05 117.00 119.32 2wrl n LEU 138 Ca 0.12 -1.04 -0.06 0.00 -1.11 0.00 0.00 56.01 53.91 2wrl n LEU 138 Cb 0.05 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.06 2wrl n LEU 138 CO 0.09 0.26 1.05 0.50 -1.11 0.00 0.00 177.39 178.18 2wrl h LYS 139 N 0.00 1.13 -4.58 1.96 3.64 -0.69 -3.23 116.57 114.81 2wrl h LYS 139 Ca 0.00 -0.19 -0.72 0.00 -1.27 0.00 0.00 60.65 58.47 2wrl h LYS 139 Cb 0.05 -0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 31.58 2wrl h LYS 139 CO 0.00 0.91 2.24 0.00 -2.27 0.00 0.00 179.45 180.32 2wrl n ALA 140 N -2.41 4.58 -1.29 5.00 0.00 -1.26 -4.65 120.51 120.48 2wrl n ALA 140 Ca 0.07 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.46 2wrl n ALA 140 Cb 0.17 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.29 2wrl n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrl n ALA 141 N 6.15 -2.58 0.00 0.00 0.00 -1.24 -4.70 120.51 118.14 2wrl n ALA 141 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2wrl n ALA 141 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2wrl n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 142 N 0.14 -0.44 3.74 0.00 0.00 -1.22 -3.72 105.19 103.70 2wrl n GLY 142 Ca 0.00 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 2wrl n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrl s GLY 143 N 0.00 1.89 -0.49 -0.02 0.00 -0.86 -4.87 107.32 102.96 2wrl s GLY 143 Ca 0.00 -1.78 0.08 0.00 0.00 0.00 0.00 44.72 43.01 2wrl s GLY 143 CO 0.00 -1.73 0.91 -2.21 0.00 0.00 0.00 173.10 170.07 2wrl n GLU 144 N -1.15 2.54 -1.18 2.90 2.13 -1.26 -4.30 120.64 120.32 2wrl n GLU 144 Ca -0.03 -4.34 -0.32 0.00 0.66 0.00 0.00 57.16 53.12 2wrl n GLU 144 Cb 0.61 -2.05 0.11 0.00 0.27 0.00 0.00 31.44 30.38 2wrl n GLU 144 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2wrl s PRO 145 N -3.18 1.87 0.00 5.31 0.02 -1.21 -5.02 135.00 132.79 2wrl s PRO 145 Ca 0.45 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.97 2wrl s PRO 145 Cb 0.32 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 33.01 2wrl s PRO 145 CO -0.12 -1.99 0.00 1.55 -0.33 0.00 0.00 177.00 176.11 2wrl n VAL 146 N -3.40 0.00 0.00 3.83 3.14 -1.23 -4.13 118.33 116.54 2wrl n VAL 146 Ca 0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2wrl n VAL 146 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 2wrl n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2wrl n LEU 147 N 0.00 0.00 0.00 6.55 7.94 -1.26 -4.72 117.00 125.51 2wrl n LEU 147 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wrl n LEU 147 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wrl n LEU 147 CO 0.00 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.46 2wrl n LEU 148 N 0.00 0.00 -3.15 -1.96 4.32 -1.26 -4.85 117.00 110.09 2wrl n LEU 148 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.81 2wrl n LEU 148 Cb 0.00 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 2wrl n LEU 148 CO 0.00 0.00 -0.06 1.21 -1.22 0.00 0.00 177.39 177.32 2wrl n GLU 149 N -1.91 -2.69 0.00 3.23 2.13 -1.26 -5.19 120.64 114.95 2wrl n GLU 149 Ca 0.00 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2wrl n GLU 149 Cb 0.00 -4.92 0.00 0.00 0.27 0.00 0.00 31.44 26.79 2wrl n GLU 149 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72